5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

C22H21N7O2 — CID 52944927

IUPAC5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRAMROMPGQCKTJR-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.00
Rot. Bonds5

About 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52944927) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52944927
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRAMROMPGQCKTJR-UHFFFAOYSA-N
XLogP3.00
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acumapimod
CID 11338127
N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
CID 139030333
5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 46943424
5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 49838879
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-o-tolyl-1H-pyrazole-4-carboxamide
CID 52948828
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11517595
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11538995
3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11618330
3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11662276
5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994862

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 52944927) is 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RAMROMPGQCKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52944927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).